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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:8473 - propane-1-thiol
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ChEBI Name
propane-1-thiol
ChEBI ID
CHEBI:8473
Definition
An alkanethiol that is propane substituted by a thiol group at position 1.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C3H8S
Net Charge
0
Average Mass
76.16162
Monoisotopic Mass
76.03467
InChI
InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey
SUVIGLJNEAMWEG-UHFFFAOYSA-N
SMILES
CCCS
Metabolite of Species
Details
Allium cepa
(NCBI:txid4679)
See:
PubMed
Allium sativum
(NCBI:txid4682)
See:
DOI
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
propane-1-thiol (
CHEBI:8473
)
has role
plant metabolite (
CHEBI:76924
)
propane-1-thiol (
CHEBI:8473
)
is a
alkanethiol (
CHEBI:47908
)
Incoming
S
-propyl hexanethioate (
CHEBI:180249
)
has functional parent
propane-1-thiol (
CHEBI:8473
)
IUPAC Name
propane-1-thiol
Synonyms
Sources
1-Mercaptopropane
ChemIDplus
1-Propyl mercaptan
ChemIDplus
1-Propylmercaptan
ChemIDplus
n-Propyl mercaptan
ChemIDplus
n-Propylmercaptan
ChemIDplus
n-Propylthiol
ChemIDplus
n-Thiopropyl alcohol
ChemIDplus
Propane-1-thiol
KEGG COMPOUND
Propanethiol
KEGG COMPOUND
Propyl mercaptan
KEGG COMPOUND
Propylthiol
ChemIDplus
Thiopropyl alcohol
ChemIDplus
Manual Xrefs
Databases
C00001267
KNApSAcK
C08390
KEGG COMPOUND
HMDB0034238
HMDB
Propanethiol
Wikipedia
XL3
PDBeChem
View more database links
Registry Numbers
Types
Sources
107-03-9
CAS Registry Number
KEGG COMPOUND
107-03-9
CAS Registry Number
NIST Chemistry WebBook
107-03-9
CAS Registry Number
ChemIDplus
1696860
Reaxys Registry Number
Reaxys
Citation
Type
Source
16748484
PubMed citation
Europe PMC
Last Modified
11 May 2023